Search Results - "Lynch, Charlotte I"

Water in Nanopores and Biological Channels: A Molecular Simulation Perspective by Lynch, Charlotte I, Rao, Shanlin, Sansom, Mark S. P

“…This Review explores the dynamic behavior of water within nanopores and biological channels in lipid bilayer membranes. We focus on molecular simulation…”
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Influence of effective polarization on ion and water interactions within a biomimetic nanopore by Phan, Linda X., Lynch, Charlotte I., Crain, Jason, Sansom, Mark S.P., Tucker, Stephen J.

“…Interactions between ions and water at hydrophobic interfaces within ion channels and nanopores are suggested to play a key role in the movement of ions across…”
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Water Nanoconfined in a Hydrophobic Pore: Molecular Dynamics Simulations of Transmembrane Protein 175 and the Influence of Water Models by Lynch, Charlotte I, Klesse, Gianni, Rao, Shanlin, Tucker, Stephen J, Sansom, Mark S. P

“…Water molecules within biological ion channels are in a nanoconfined environment and therefore exhibit behaviors which differ from that of bulk water. Here, we…”
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Molecular Simulations of Hydrophobic Gating of Pentameric Ligand Gated Ion Channels: Insights into Water and Ions by Rao, Shanlin, Klesse, Gianni, Lynch, Charlotte I, Tucker, Stephen J, Sansom, Mark S. P

“…Ion channels are proteins which form gated nanopores in biological membranes. Many channels exhibit hydrophobic gating, whereby functional closure of a pore…”
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Effect of Water Models on Transmembrane Self-Assembled Cyclic Peptide Nanotubes by Calvelo, Martin, Lynch, Charlotte I, Granja, Juan R, Sansom, Mark S. P, Garcia-Fandiño, Rebeca

“…Self-assembling cyclic peptide nanotubes can form nanopores when they are inserted in lipid bilayers, acting as ion and/or water permeable channels. In order…”
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Influence of water models on water movement through AQP1 by Gonzalez, Miguel A, Zaragoza, Alberto, Lynch, Charlotte I, Sansom, Mark S P, Valeriani, Chantal

“…Water diffusion through membrane proteins is a key aspect of cellular function. Essential processes of cellular metabolism are driven by osmotic pressure,…”
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Water and hydrophobic gates in ion channels and nanopores by Rao, Shanlin, Lynch, Charlotte I, Klesse, Gianni, Oakley, Georgia E, Stansfeld, Phillip J, Tucker, Stephen J, Sansom, Mark S P

“…Ion channel proteins form nanopores in biological membranes which allow the passage of ions and water molecules. Hydrophobic constrictions in such pores can…”
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Prediction of pyrazinamide resistance in Mycobacterium tuberculosis using structure-based machine-learning approaches by Carter, Joshua J, Walker, Timothy M, Walker, A Sarah, Whitfield, Michael G, Morlock, Glenn P, Lynch, Charlotte I, Adlard, Dylan, Peto, Timothy E A, Posey, James E, Crook, Derrick W, Fowler, Philip W

“…Abstract Background Pyrazinamide is one of four first-line antibiotics used to treat tuberculosis; however, antibiotic susceptibility testing for pyrazinamide…”
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Ion and water interactions with a biomimetic nanopore: molecular dynamics with effective polarization by Phan, Linda X., Lynch, Charlotte I., Crain, Jason, Sansom, Mark S.P., Tucker, Stephen J.

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Modelling Water Behaviour in Hydrophobic Gates of Ion Channels by Lynch, Charlotte I., Rao, Shanlin, Klesse, Gianni, Tucker, Stephen J., Sansom, Mark S.P.

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Influence of Hydrophobicity on Anion Selectivity by Phan, Linda X., Lynch, Charlotte I., Crain, Jason, Tucker, Stephen J., Sansom, Mark S.

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Influence of water models on water movement through AQP1 by Gonzalez, Miguel A, Zaragoza, Alberto, Lynch, Charlotte I, Sansom, Mark S. P, Valeriani, Chantal

“…Water diffusion through membrane proteins is a key aspect of cellular function. Essential processes of cellular metabolism are driven by osmotic pressure,…”
Get full text